CID 3056002

2-(2-((aminocarbonyl)oxy)-1-oxopropoxy)-n,n,n-trimethylethanaminium iodide

Structural Information

Molecular Formula
C9H19N2O4
SMILES
CC(C(=O)OCC[N+](C)(C)C)OC(=O)N
InChI
InChI=1S/C9H18N2O4/c1-7(15-9(10)13)8(12)14-6-5-11(2,3)4/h7H,5-6H2,1-4H3,(H-,10,13)/p+1
InChIKey
XIOMXHAEGCWPIM-UHFFFAOYSA-O
Compound name
2-(2-carbamoyloxypropanoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13448 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14176 146.1
[M+Na]+ 242.12370 151.1
[M-H]- 218.12720 147.4
[M+NH4]+ 237.16830 164.3
[M+K]+ 258.09764 147.4
[M+H-H2O]+ 202.13174 143.5
[M+HCOO]- 264.13268 168.3
[M+CH3COO]- 278.14833 188.2
[M+Na-2H]- 240.10915 151.5
[M]+ 219.13393 147.6
[M]- 219.13503 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.